Table 1.
Salt bridge | αIIbβ3 TMD | αvβ3 TMD | α5β1 TMD | ||||||
---|---|---|---|---|---|---|---|---|---|
SimI | SimII | SimIII | SimI | SimII | SimIII | SimI | SimII | SimIII | |
R995-D723 | 47 | 92 | 35 | 57 | 8 | 46 | 14 | 66 | 38 |
58 ± 6.7[b] | 37 ± 14.8[b] | 39 ± 15.0[b] | |||||||
R995-E726 | 47 | 50 | 2 | 70 | 29 | 18 | 24 | 78 | 24 |
33 ± 15.5[b] | 39 ± 18.8[b] | 42 ± 18.0[b] | |||||||
R997-D723 | 23 | 95 | 23 | 84 | 52 | 7 | —[c] | —[c] | —[c] |
47 ± 24.0[b] | 48 ± 22.3[b] | —[c] | |||||||
R997-E726 | 10 | 39 | 2 | 10 | 31 | 51 | —[c] | —[c] | —[c] |
17 ± 11.2[b] | 31 ± 11.8[b] | —[c] |
[a]In %.
[b]Mean values and SEM (eq. 6), calculated over three MD simulations.
[c]Interactions that cannot be formed in the TMD of integrin α5β1.